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FROM ASSAY VALIDATION TO AI EVALUATION

Evidence before
confidence.

Train a model. Set your criteria. Challenge its performance.
A practical bridge between laboratory science and machine learning.

Portfolio learning environment · Synthetic laboratory quality-control data · No clinical or pathogen inference

Build your experiment

01 / Validation
EXPERIMENT SETUP

1,200 synthetic observations. Stratified 60% training / 20% validation / 20% test. Preprocessing is fitted on training data only.

PRESET ACCEPTANCE CRITERIA

Predict failure when score ≥ threshold. A lower threshold catches more failures but may reject more acceptable runs.

THE SCIENTIFIC QUESTION

Can an assay run be flagged
for quality review?

Learn a binary classifier from three simulated instrument features: signal drift, replicate variability and background signal. The reference label marks whether a run failed quality control.

720Train
→
240Validate
→
240Test · sealed

Receiver operating characteristic

— Model discrimination┄ Chance

AUC measures ranking across thresholds. It does not establish calibration or suitability for deployment.

Performance, with context

Validation subset
ERRORS IN BOTH DIRECTIONS

Confusion matrix

Rows: reference label. Columns: predicted label.

Flagged failureAcceptable
Actual failure
Actual acceptable

False negative = missed QC failure. False positive = unnecessary rejection of an acceptable run.

ARE THE SCORES RELIABLE?

Calibration check

Mean predicted score vs observed failure frequency, in five probability bins. Small bins are unstable; the Brier score measures overall probability error.

Error review

CaseReferenceScorePredictionOutcome

Model evidence

LEARNED PARAMETERS

A model you can inspect

Coefficients apply to training-standardised features. They describe association in this synthetic dataset, not causation.

OPTIMISATION

Training loss

METHOD & LIMITATIONS

Make the evaluation defensible.

01 / Define the claim

The positive class is a simulated assay QC failure. This app does not diagnose disease or evaluate biological threat capabilities.

02 / Separate the evidence

Fit scaling and logistic regression on training data. Select a threshold using validation data. Lock it before revealing the held-out test set.

03 / Record uncertainty

Sensitivity and specificity include 95% Wilson intervals. An absent denominator is reported as N/A. Acceptance can use point estimates or interval lower bounds.

04 / State the limits

Synthetic outcomes are sampled from a logistic process. Good performance is expected and does not establish real-world validity. Repeated experiments after seeing test results are exploratory.

Implementation: browser-native binary logistic regression, full-batch gradient descent, learning rate 0.12 and optional L2 penalty (intercept excluded). The loss plot shows unpenalised training cross-entropy. ROC AUC uses tied-score grouping and trapezoidal integration.

CSV imports are evaluated as an external scored dataset. The app cannot verify how the external model was trained or whether leakage occurred. No live LLM connection is configured. Data stays in the current browser tab and is cleared on reload.

Read about data leakage ↗   Logistic regression reference ↗